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Template proteins with similar binding site:
Click to view | Rank | CscoreLB | PDB Hit | TM-score | RMSDa | IDENa | Cov. | BS-score | Lig. Name | Download Complex | Predicted binding site residues |
| 1 | 0.10 | 2rh1A | 0.592 | 4.24 | 0.278 | 0.692 | 0.99 | CLR | complex1.pdb.gz | 66,70,73,74,105 |
| 2 | 0.05 | 2rh1A | 0.592 | 4.24 | 0.278 | 0.692 | 0.56 | CLR | complex2.pdb.gz | 102,134,137 |
| 3 | 0.04 | 3pdsA | 0.590 | 4.26 | 0.288 | 0.692 | 0.70 | ERC | complex3.pdb.gz | 113,121,131,135,136,221,225,337,340,341,344,367,370 |
| 4 | 0.01 | 3htfA | 0.192 | 5.20 | 0.073 | 0.256 | 0.49 | JZ6 | complex4.pdb.gz | 74,97,98,101,105 |
| 5 | 0.01 | 1c6cA | 0.192 | 5.10 | 0.086 | 0.256 | 0.49 | AR | complex5.pdb.gz | 97,100,101,105,373 |
| 6 | 0.01 | 1c6gA | 0.194 | 4.97 | 0.016 | 0.254 | 0.43 | KR | complex6.pdb.gz | 71,101,104,105,108 |
| 7 | 0.01 | 2q9eB | 0.190 | 5.09 | 0.052 | 0.252 | 0.44 | MTN | complex7.pdb.gz | 70,74,477 |
| Click on the radio buttons to visualize predicted binding site and residues. |
(a) | CscoreLB is the confidence score of predicted binding site. CscoreLB values range in between [0-1]; where a higher score indicates a more reliable ligand-binding site prediction. |
(b) | BS-score is a measure of local similarity (sequence & structure) between template binding site and predicted binding site in the query structure. Based on large scale benchmarking analysis, we have observed that a BS-score >1 reflects a significant local match between the predicted and template binding site.
| (c) | TM-score is a measure of global structural similarity between query and template protein. |
(d) | RMSDa the RMSD between residues that are structurally aligned by TM-align. |
(e) | IDENa is the percentage sequence identity in the structurally aligned region. |
(f) | Cov. represents the coverage of global structural alignment and is equal to the number of structurally aligned residues divided by length of the query protein. |
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